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Merck
CN

D77001

Adiponitrile

99%

Synonym(s):

1,6-hexanedinitrile, ADN, 1,4-Dicyanobutane

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About This Item

Linear Formula:
NC(CH2)4CN
CAS Number:
111-69-3
Molecular Weight:
108.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24894156
EC Number:
203-896-3
Beilstein/REAXYS Number:
1740005
MDL number:
MFCD00001975
Assay:
99%
Form:
liquid

Key Documents

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InChI key

BTGRAWJCKBQKAO-UHFFFAOYSA-N

InChI

1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

SMILES string

N#CCCCCC#N

vapor density

3.7 (vs air)

vapor pressure

0.01 mmHg ( 40 °C)

assay

99%

form

liquid

autoignition temp.

1022 °F

expl. lim.

4.99 %

Quality Level

100

refractive index

n20/D 1.438 (lit.)

bp

295 °C (lit.)

mp

1-3 °C (lit.)

density

0.951 g/mL at 25 °C (lit.)

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Application

Adiponitrile is a key precursor for manufacturing nylon-6,6. It can undergo catalytic hydrogenation to form hexamethylenediamine (HMD). ADN shows promising potential as a solvent for electrolyte solutions used in high-voltage lithium batteries due to its high anodic and thermal stability.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301,H332

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Inhalation

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

325.4 °F - closed cup

flash_point_c

163 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
0000519110
0000519110
0000519102
0000519102
0000484129

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Raghuraj Rao et al.
Analytica chimica acta, 599(1), 24-35 (2007-09-04)
Multivariate calibration problems often involve the identification of a meaningful subset of variables, from a vast number of variables for better prediction of output variables. A new graph theoretic method based on partial correlations (variable interaction network-VIN) is proposed. Many
Inhalation toxicity of adiponitrile in rats.
L W Smith et al.
Toxicology and applied pharmacology, 65(2), 257-263 (1982-09-15)
Jian-Jun Dai et al.
ChemSusChem, 5(4), 617-620 (2012-03-24)
Current affairs: Adiponitrile, used to produce nylon 6.6, is prepared from the renewable compound glutamic acid by an electrochemical route, involving electro-oxidative decarboxylation and Kolbe coupling reactions. The new route is an example of the use of glutamic acid as
O L Dashiell et al.
Journal of applied toxicology : JAT, 4(6), 320-325 (1984-12-01)
Nine chemicals, with a range from extremely to slightly toxic, were used to measure the oral LD50 in both fasted (24-h) and non-fasted rats. Each chemical was tested as a solution or suspension in corn oil, responses within 14 days
J L Moreau et al.
Journal of chromatography. B, Biomedical applications, 656(1), 197-202 (1994-06-03)
A procedure for the assay of nitrile hydratase and amidase activity by high-performance liquid chromatography is described. The method can be used to assay the intermediate compounds resulting from the hydrolysis of adiponitrile into adipic acid, and to determine the
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